2-(4-Bromophenoxy)benzoic acid - CAS 74744-77-7
Catalog: |
BB061962 |
Product Name: |
2-(4-Bromophenoxy)benzoic acid |
CAS: |
74744-77-7 |
Synonyms: |
2-(4-bromophenoxy)benzoic acid; 2-(4-bromophenoxy)benzoicacid; 2-(4-bromo-phenoxy)benzoic acid |
IUPAC Name: | 2-(4-bromophenoxy)benzoic acid |
Molecular Weight: | 293.11 |
Molecular Formula: | C13H9BrO3 |
Canonical SMILES: | C1=CC=C(C(=C1)C(=O)O)OC2=CC=C(C=C2)Br |
InChI: | InChI=1S/C13H9BrO3/c14-9-5-7-10(8-6-9)17-12-4-2-1-3-11(12)13(15)16/h1-8H,(H,15,16) |
InChI Key: | AVDBULDTEXDPOR-UHFFFAOYSA-N |
Complexity: | 261 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 291.97351 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 291.97351 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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